bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine

C6H11NO6P2S+2 — CID 19865315

IUPACbis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine
SMILESCSc1ccccn1.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C6H7NS.2HO3P/c1-8-6-4-2-3-5-7-6;2*1-4(2)3/h2-5H,1H3;2*(H-,1,2,3)/p+2
InChIKeyRLALNOIRJGZXSP-UHFFFAOYSA-P
MW287.17 g/mol
LogP1.06
Rot. Bonds1

About bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine

bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine (PubChem CID 19865315) has the molecular formula C6H11NO6P2S+2 and a molecular weight of 287.17 g/mol. Its IUPAC name is bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine.

Molecular Properties

Compound Namebis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine
PubChem CID19865315
Molecular FormulaC6H11NO6P2S+2
Molecular Weight287.17 g/mol
Exact Mass286.98
IUPAC Namebis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine
SMILESCSc1ccccn1.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C6H7NS.2HO3P/c1-8-6-4-2-3-5-7-6;2*1-4(2)3/h2-5H,1H3;2*(H-,1,2,3)/p+2
InChIKeyRLALNOIRJGZXSP-UHFFFAOYSA-P
XLogP1.06
TPSA127.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine?
The IUPAC name of bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine (CID 19865315) is bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine.
What is the SMILES notation for bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine?
The canonical SMILES for bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine is CSc1ccccn1.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine?
The InChIKey is RLALNOIRJGZXSP-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H7NS.2HO3P/c1-8-6-4-2-3-5-7-6;2*1-4(2)3/h2-5H,1H3;2*(H-,1,2,3)/p+2.
What are the key properties of bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine?
bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine has a molecular weight of 287.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine is sourced from PubChem (CID 19865315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).